CID 121463608

Dtxsid501377619

Structural Information

Molecular Formula
C18H19F2NO2
SMILES
C[C@@H](C(C1=CC=C(C=C1)F)C2=CC=C(C=C2)F)OC(=O)[C@H](C)N
InChI
InChI=1S/C18H19F2NO2/c1-11(21)18(22)23-12(2)17(13-3-7-15(19)8-4-13)14-5-9-16(20)10-6-14/h3-12,17H,21H2,1-2H3/t11-,12-/m0/s1
InChIKey
CTZYYCNGGXBOFO-RYUDHWBXSA-N
Compound name
[(2S)-1,1-bis(4-fluorophenyl)propan-2-yl] (2S)-2-aminopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

319.1384 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14568 174.9
[M+Na]+ 342.12762 179.9
[M-H]- 318.13112 178.1
[M+NH4]+ 337.17222 188.2
[M+K]+ 358.10156 176.5
[M+H-H2O]+ 302.13566 165.0
[M+HCOO]- 364.13660 192.7
[M+CH3COO]- 378.15225 212.1
[M+Na-2H]- 340.11307 172.5
[M]+ 319.13785 171.8
[M]- 319.13895 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe